SCHEMBL11223947

SCHEMBL11223947

O=C(CCC(=O)N1CCC(c2ccccc2)CC1)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 1/20 0.62
▸ F7 P08709 1/20 0.48
▸ F3 P13726 1/20 0.48
▸ MCHR1 Q99705 3/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ OPRL1 P41146 1/20 0.47
▸ PRKAB2 O43741 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ HAT1 O14929 1/20 0.46
▸ EP300 Q09472 1/20 0.46
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11247565 0.88 ALDH1A1 (0.51) AVPR1ATPSAB1ESR1DRD2DRD4
SCHEMBL11229177 0.88 TPSAB1 (0.56) AVPR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11251234 0.88 AVPR1A (0.49) AVPR1ATPSAB1ESR1DRD2DRD4
SCHEMBL11321191 0.88 AVPR1A (0.56) AVPR1AMCHR1HAT1EP300TPSAB1
SCHEMBL11223398 0.87 ADAM17 (0.57) AVPR1ATPSAB1ESR1DRD2DRD4
SCHEMBL11312535 0.87 AVPR1A (0.56) AVPR1AMCHR1HAT1EP300GABRP
SCHEMBL11230105 0.86 AVPR1A (0.48) AVPR1AHAT1EP300GABRA1GABRB2
SCHEMBL11251330 0.85 SMN1; SMN2 (0.56) —
SCHEMBL11233891 0.85 AVPR1A (0.47) AVPR1AHAT1EP300TPSAB1ESR1
SCHEMBL11221344 0.85 TPSAB1 (0.48) AVPR1ATPSAB1ESR1DRD2DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007399-B1 INDOLYLALKYL AMINES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR MANUFACTURE MERCK PATENT GmbH (DE) 1982-01-20 — — EP disclosed
US-4251538-A Indolealkylamines and processes for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-02-17 — — US disclosed
EP-0007399-A1 Indolylalkyl amines, pharmaceutical preparations containing them and process for their manufacture MERCK PATENT GmbH (DE) 1980-02-06 — — EP disclosed
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